N-[(2S)-1-(cycloheptylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-(cycloheptylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-(cycloheptylcarbamoyl)-3-methylsulfanyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(cycloheptylamino)-4-(methylthio)-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(cycloheptylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-(cycloheptylcarbamoyl)-3-(methylthio)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H37N3O4S MolecularWeight: 463.63328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CCSC)C(=O)NC3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CCSC)C(=O)NC3CCCCCC3)OC

InChI

InChI=1S/C24H37N3O4S/c1-30-21-14-17-10-12-27(16-18(17)15-22(21)31-2)24(29)26-20(11-13-32-3)23(28)25-19-8-6-4-5-7-9-19/h14-15,19-20H,4-13,16H2,1-3H3,(H,25,28)(H,26,29)/t20-/m0/s1